Information card for entry 2205542

Structure parameters

• Chemical name: N-(4-Methoxybenzoyl)-N'-(4-methoxyphenyl)thiourea
• Formula: C16 H16 N2 O3 S
• Calculated formula: C16 H16 N2 O3 S
• SMILES: S=C(Nc1ccc(OC)cc1)NC(=O)c1ccc(OC)cc1
• Title of publication: <i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-(4-methoxyphenyl)thiourea
• Authors of publication: Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Basirun, Wan Jefri; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1093 - o1094
• a: 11.4198 ± 0.0007 Å
• b: 11.0121 ± 0.0007 Å
• c: 12.2262 ± 0.0008 Å
• α: 90°
• β: 93.319 ± 0.001°
• γ: 90°
• Cell volume: 1534.94 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes